2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H26N4O2 — CID 56803059

IUPAC2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N1CCCC1C1CCCN1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H26N4O2/c1-14(23)22-11-5-8-17(22)16-7-4-10-21(16)13-18(24)20-12-15-6-2-3-9-19-15/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3,(H,20,24)
InChIKeyLBZPGYATZPPDHQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.17
Rot. Bonds5

About 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56803059) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID56803059
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N1CCCC1C1CCCN1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H26N4O2/c1-14(23)22-11-5-8-17(22)16-7-4-10-21(16)13-18(24)20-12-15-6-2-3-9-19-15/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3,(H,20,24)
InChIKeyLBZPGYATZPPDHQ-UHFFFAOYSA-N
XLogP1.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 56803059) is 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N1CCCC1C1CCCN1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LBZPGYATZPPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(23)22-11-5-8-17(22)16-7-4-10-21(16)13-18(24)20-12-15-6-2-3-9-19-15/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3,(H,20,24).
What are the key properties of 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56803059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).